N-[2-(methylsulfanyl)phenyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-[2-(methylsulfanyl)phenyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide
N-[2-(methylsulfanyl)phenyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | 8018-4649 |
| Compound Name: | N-[2-(methylsulfanyl)phenyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 320.37 |
| Molecular Formula: | C14 H16 N4 O3 S |
| Smiles: | CSc1ccccc1NC(CCCn1cc(cn1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1445 |
| logD: | 1.1445 |
| logSw: | -2.2408 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.555 |
| InChI Key: | HDELXDDMDYCAQD-UHFFFAOYSA-N |